抗疟疾和多生物活性Co (II),Cu (II) 和Ni (II) 盐复合物:合成,表征和计算研究
Minakshee A Todarwal1,2, Rakesh S Sancheti1, Sumit R Nikume2
1Department of Chemistry, SNJB's KKHA Arts, SMGL Commerce and SPHJ Science College, Chandwad, 423101, India.
Chemistry & biodiversity
|June 2, 2024
概括
合成的铜复合体 (CuL) 显示出与素相当的强大抗疟活性和显著的抗菌作用. 这种N2O2四酸连接体复合物也表现出抗炎性质,并且非细胞毒性.
科学领域:
- 协调化学 协调化学
- 药用化学 医学化学
- 计算化学计算化学
背景情况:
- 来自四牙酸的金属复合物在药物化学中提供了多样化的应用.
- 研究N2O2供体盐类联体及其金属复合物的生物活动对于药物发现至关重要.
研究的目的:
- 合成和表征N2O2供体四牙盐类型联体 (L) 和其 (CoL), (NiL) 和铜 (CuL) 复合物.
- 评估这些合成化合物的抗疟疾,抗菌和抗炎活性.
- 通过分子对接和DFT研究来研究抗疟疾机制.
主要方法:
- 使用光谱方法合成和表征连接物 (L) 和其金属复合物 (CoL,NiL,CuL).
- 在体外对抗疟疾的测定对菌. 菌.
- 在体外抗菌检测对E. Coli,P. Aeruginosa和S. Aureus进行抗菌检测.
- 在体外抗炎试验.
- 使用Plasmodium falciparum乳酸脱酶 (pLDH) 的分子对接研究.
- 密度函数理论 (DFT) 的计算.
主要成果:
- 这种CuL复合物与因 (IC50 = 0.25μg/mL) 具有同等强的抗疟疾活性.
- 配体 (L) 对测试的细菌菌株表现出显著的抗菌活性 (MIC = 12.5-50 μg/mL),而CoL对阳性细菌 (MIC = 12.5 μg/mL) 具有强大作用.
- CuL表现出中度的抗炎活性和与pLDH的最高抗疟疾对接得分 (-8.12 Kcal/mol),得到了DFT分析的支持,表明高二极子时刻对活性的贡献.
- 没有任何测试的化合物显示对维罗细胞系的细胞毒性.
结论:
- 合成的CuL复合体显示出作为抗疟疾和抗菌剂的巨大潜力.
- 酸二氧化连接体及其金属复合物代表了开发新治疗剂的有希望的支架.
- 对作用机制和体内疗效的进一步研究是有必要的.
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